Reaction Details
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Cysteine proteinase falcipain 3
Ligand
BDBM12042
Substrate
n/a
Meas. Tech.
ChEMBL_1852105 (CHEMBL4352729)
IC50
136±n/a nM
Citation
Stoye, A; Juillard, A; Tang, AH; Legac, J; Gut, J; White, KL; Charman, SA; Rosenthal, PJ; Grau, GER; Hunt, NH; Payne, RJ Falcipain Inhibitors Based on the Natural Product Gallinamide A Are Potent in Vitro and in Vivo Antimalarials. J Med Chem 62:5562-5578 (2019) [PubMed] Article More Info.:
Target
Name:
Cysteine proteinase falcipain 3
Synonyms:
Cysteine protease falcipain-3
Type:
Protein
Mol. Mass.:
56666.98
Organism:
Plasmodium falciparum
Description:
Q9NAW4
Residue:
492
Sequence:
MEYHMEYSPNEVIKQEREVFVGKEKSGSKFKRKRSIFIVLTVSICFMFALMLFYFTRNENNKTLFTNSLSNNINDDYIINSLLKSESGKKFIVSKLEELISSYDKEKKMRTTGAEENNMNMNGIDDKDNKSVSFVNKKNGNLKVNNNNQVSYSNLFDTKFLMDNLETVNLFYIFLKENNKKYETSEEMQKRFIIFSENYRKIELHNKKTNSLYKRGMNKFGDLSPEEFRSKYLNLKTHGPFKTLSPPVSYEANYEDVIKKYKPADAKLDRIAYDWRLHGGVTPVKDQALCGSCWAFSSVGSVESQYAIRKKALFLFSEQELVDCSVKNNGCYGGYITNAFDDMIDLGGLCSQDDYPYVSNLPETCNLKRCNERYTIKSYVSIPDDKFKEALRYLGPISISIAASDDFAFYRGGFYDGECGAAPNHAVILVGYGMKDIYNEDTGRMEKFYYYIIKNSWGSDWGEGGYINLETDENGYKKTCSIGTEAYVPLLE
Inhibitor
Name:
BDBM12042
Synonyms:
(2R,3R)-3-{[(1S)-1-[(4-carbamimidamidobutyl)carbamoyl]-3-methylbutyl]carbamoyl}oxirane-2-carboxylic acid | E-64 | L-trans-3-Carboxyoxiran-2-carbonyl-L-leucylagmatine | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE | trans-Epoxysuccinyl-L-leucylamido(4-guanidino)butane
Type:
Small organic molecule
Emp. Form.:
C15H27N5O5
Mol. Mass.:
357.4054
SMILES:
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#8]-[#6@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|
Structure:
